3-[heptacosyl(dimethyl)azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[heptacosyl(dimethyl)azaniumyl]propane-1-sulfonate Openeye Name: 3-[heptacosyl(dimethyl)ammonio]propane-1-sulfonate CAS Name: 3-[heptacosyl(dimethyl)ammonio]-1-propanesulfonate IUPAC Name: 3-[heptacosyl(dimethyl)azaniumyl]propane-1-sulfonate Traditional Name: 3-[heptacosyl(dimethyl)ammonio]propane-1-sulfonate Formula: C32H67NO3S MolecularWeight: 545.94428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C32H67NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-33(2,3)31-29-32-37(34,35)36/h4-32H2,1-3H3